SCHEMBL8129087

SCHEMBL8129087

O=C(O)c1cn(-c2ccncc2F)c2nc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ ATP6V1B2 P21281 1/20 0.63
▸ TBXA2R P21731 1/20 0.63
▸ EDNRA P25101 1/20 0.63
▸ TARBP2 Q15633 1/20 0.63
▸ KMT2A Q03164 2/20 0.54
▸ EPHA2 P29317 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ RARB P10826 1/20 0.54
▸ TBXAS1 P24557 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ TOP2A P11388 5/20 0.49
▸ TOP2B Q02880 4/20 0.49
▸ HTT P42858 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8133083 0.99 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8131253 0.89 KMT2A (0.54) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL8121627 0.88 KMT2A (0.54) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8131284 0.88 KMT2A (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL8137885 0.87 KMT2A (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL312827 0.87 KMT2A (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL10551298 0.86 KMT2A (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8131883 0.84 EPHA2 (0.58) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9536876 0.84 LMNA (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8137058 0.84 ALDH1A1 (0.68) LMNACYP2C9ATP6V1B2TBXA2REDNRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713487-B1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARM IND CO LTD (KR) 2000-04-19 — — EP disclosed
US-5496947-A BACTERICIDES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1996-03-05 — — US disclosed
WO-1995005373-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1995-02-23 — — WO disclosed
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